4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 114586473

IUPAC4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2(N)CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-17-9-10(16)14-8-15-11(9)18-7-12(13)5-3-2-4-6-12/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyGXUVHFKNWYGXBZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.82
Rot. Bonds4

About 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one

4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586473) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586473
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2(N)CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-17-9-10(16)14-8-15-11(9)18-7-12(13)5-3-2-4-6-12/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyGXUVHFKNWYGXBZ-UHFFFAOYSA-N
XLogP0.82
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one (CID 114586473) is 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCC2(N)CCCCC2)nc[nH]c1=O.
What is the InChIKey of 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is GXUVHFKNWYGXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-9-10(16)14-8-15-11(9)18-7-12(13)5-3-2-4-6-12/h8H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).